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829666-58-2 | [8,8'-Biquinoline]-7,7'-diol, compd. with methanol (1:2)
CAS No: 829666-58-2 Catalog No: AG008KJN MDL No:
Product Description
Catalog Number:
AG008KJN
Chemical Name:
[8,8'-Biquinoline]-7,7'-diol, compd. with methanol (1:2)
CAS Number:
829666-58-2
Molecular Formula:
C20H20N2O4
Molecular Weight:
352.3838
IUPAC Name:
8-(7-hydroxyquinolin-8-yl)quinolin-7-ol;methanol
InChI:
InChI=1S/C18H12N2O2.2CH4O/c21-13-7-5-11-3-1-9-19-17(11)15(13)16-14(22)8-6-12-4-2-10-20-18(12)16;2*1-2/h1-10,21-22H;2*2H,1H3
InChI Key:
SIOTTYZBQPBKPR-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1c1c(O)ccc3c1nccc3)nccc2.CO.CO
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.142g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
352.39g/mol
Monoisotopic Mass:
352.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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